3-benzylpyrrolidin-2-one

C11H13NO — CID 10241299

IUPAC3-benzylpyrrolidin-2-one
SMILESO=C1NCCC1Cc1ccccc1
InChIInChI=1S/C11H13NO/c13-11-10(6-7-12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKeyKWFHSBMVLYCBQP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.37
Rot. Bonds2

About 3-benzylpyrrolidin-2-one

3-benzylpyrrolidin-2-one (PubChem CID 10241299) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name3-benzylpyrrolidin-2-one
PubChem CID10241299
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-benzylpyrrolidin-2-one
SMILESO=C1NCCC1Cc1ccccc1
InChIInChI=1S/C11H13NO/c13-11-10(6-7-12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKeyKWFHSBMVLYCBQP-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phensuximide
CID 6839
Fonturacetam
CID 132441
N-(2-phenylethyl)acetamide
CID 70143
4-Phenyl-2-pyrrolidinone
CID 121397
F 1459
CID 162185
Desmethyl diphenamid
CID 70381
N-Cyclohexyl-2-phenylacetamide
CID 82500
5-Benzylpyrrolidin-2-One
CID 99881
Fenimide
CID 6068
N-Methyl-2-phenylacetamide
CID 81274
N-cyclohexyl-4-phenylbutanamide
CID 288831
N-benzyl-2-cyclohexylacetamide
CID 880904

Frequently Asked Questions

What is the IUPAC name of 3-benzylpyrrolidin-2-one?
The IUPAC name of 3-benzylpyrrolidin-2-one (CID 10241299) is 3-benzylpyrrolidin-2-one.
What is the SMILES notation for 3-benzylpyrrolidin-2-one?
The canonical SMILES for 3-benzylpyrrolidin-2-one is O=C1NCCC1Cc1ccccc1.
What is the InChIKey of 3-benzylpyrrolidin-2-one?
The InChIKey is KWFHSBMVLYCBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-10(6-7-12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13).
What are the key properties of 3-benzylpyrrolidin-2-one?
3-benzylpyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpyrrolidin-2-one is sourced from PubChem (CID 10241299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).